Geometry & MOs

Info

ID:	237221
PubChem CID:	92717927
Reduced:	ClON5H18C22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	485.106372
ΔH_f, kcal/mol:	105.76
Dipole, Da:	1.83
IP(EA), eV:	-9.61(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations